1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride

C15H17ClF2N2OS — CID 120558257

IUPAC1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccc(OC(F)F)cc3)cs2)CCCC1
InChIInChI=1S/C15H16F2N2OS.ClH/c16-14(17)20-11-5-3-10(4-6-11)12-9-21-13(19-12)15(18)7-1-2-8-15;/h3-6,9,14H,1-2,7-8,18H2;1H
InChIKeyBQOABFZXZAECPC-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.56
Rot. Bonds4

About 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride

1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120558257) has the molecular formula C15H17ClF2N2OS and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120558257
Molecular FormulaC15H17ClF2N2OS
Molecular Weight346.83 g/mol
Exact Mass346.07
IUPAC Name1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccc(OC(F)F)cc3)cs2)CCCC1
InChIInChI=1S/C15H16F2N2OS.ClH/c16-14(17)20-11-5-3-10(4-6-11)12-9-21-13(19-12)15(18)7-1-2-8-15;/h3-6,9,14H,1-2,7-8,18H2;1H
InChIKeyBQOABFZXZAECPC-UHFFFAOYSA-N
XLogP4.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 62915540
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
4-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-1,3-thiazol-2-amine
CID 135721587

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride (CID 120558257) is 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2nc(-c3ccc(OC(F)F)cc3)cs2)CCCC1.
What is the InChIKey of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BQOABFZXZAECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS.ClH/c16-14(17)20-11-5-3-10(4-6-11)12-9-21-13(19-12)15(18)7-1-2-8-15;/h3-6,9,14H,1-2,7-8,18H2;1H.
What are the key properties of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120558257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).